Chemical Compound

DTXSID901014683

CAS Registry Number 7631-46-1
DTXSID901014683 chemical structure
Primary Record

DTXSID901014683

In stock
4,275 g
Purity
99.8 %
CAS
7631-46-1

Compound Identifiers & Properties

CAS
7631-46-1
PubChem CID
154734642
SMILES
[H+].[H+].COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)[O-].OS(=O)(=O)[O-].OS(=O)(=O)[O-].I[I-]I.I[I-]I
Canonical SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.I[I-]I.I[I-]I.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.[H+].[H+]

Names & Synonyms

  • DTXSID901014683
  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, (hydrogen triiodide) sulfate (salt) (4:2:3)
  • 7631-46-1